SCHEMBL4684663

SCHEMBL4684663

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(N2CCCC(N(Cc3ccccc3)S(=O)(=O)c3cccc(C#N)c3)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.45
FPR1 P21462 1/20 0.45
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
F10 P00742 7/20 0.39
RORC P51449 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
KCNA5 P22460 3/20 0.35
KCNH2 Q12809 1/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4686432 0.83 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4679795 0.75 F10 (0.47) F10
SCHEMBL4680343 0.75 F10 (0.56) FPR2FPR1PSEN1PSEN2APH1B
SCHEMBL2699177 0.73 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6983760 0.70 F10 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6988224 0.70 F10 (0.47) F10
SCHEMBL5885954 0.67 NR3C1 (0.41)
SCHEMBL4683512 0.67 FPR2 (0.56) FPR2FPR1F10
SCHEMBL7064874 0.66 FPR2 (0.48) FPR2FPR1F10GPR119
SCHEMBL4681031 0.66 F10 (0.57) FPR2FPR1F10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337251-B1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2008-08-20 EP disclosed
US-6951872-B2 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-04 US disclosed
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors JACOBSON IRINA C (US) 2004-07-08 US disclosed
US-6710058-B2 USE AS ANTICOAGULANT AGENTS FOR THERAPY AND PROPHYLAXIS OFTHROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-23 US disclosed
US-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020183324-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 FPR2 1878/4885FPR1 470/4885PSEN1 2345/4885
US-20040132718-A1 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors F11, F12, SERPINC1 FPR2 1878/4885FPR1 470/4885PSEN1 2345/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.